2,7-diazaspiro[3.5]nonan-7-yl-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methanone

C19H23N3O2 — CID 166261529

IUPAC2,7-diazaspiro[3.5]nonan-7-yl-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methanone
SMILESCCc1ccc(-c2cc(C(=O)N3CCC4(CC3)CNC4)no2)cc1
InChIInChI=1S/C19H23N3O2/c1-2-14-3-5-15(6-4-14)17-11-16(21-24-17)18(23)22-9-7-19(8-10-22)12-20-13-19/h3-6,11,20H,2,7-10,12-13H2,1H3
InChIKeyWPVWFQUOLHWAEL-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.73
Rot. Bonds3

About 2,7-diazaspiro[3.5]nonan-7-yl-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methanone

2,7-diazaspiro[3.5]nonan-7-yl-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methanone (PubChem CID 166261529) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2,7-diazaspiro[3.5]nonan-7-yl-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name2,7-diazaspiro[3.5]nonan-7-yl-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methanone
PubChem CID166261529
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2,7-diazaspiro[3.5]nonan-7-yl-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methanone
SMILESCCc1ccc(-c2cc(C(=O)N3CCC4(CC3)CNC4)no2)cc1
InChIInChI=1S/C19H23N3O2/c1-2-14-3-5-15(6-4-14)17-11-16(21-24-17)18(23)22-9-7-19(8-10-22)12-20-13-19/h3-6,11,20H,2,7-10,12-13H2,1H3
InChIKeyWPVWFQUOLHWAEL-UHFFFAOYSA-N
XLogP2.73
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,7-diazaspiro[3.5]nonan-7-yl-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methanone with MolForge

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Related Compounds

4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid
CID 119251838
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 15997087
azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone
CID 135573124
[5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 1093778
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane
CID 144928448
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 90510455
methyl 4-[5-(4-hydroxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate
CID 166309978
2-(4-chlorophenyl)-1-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone
CID 112845684
(4-benzylpiperazin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone
CID 17252730
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 135091721
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754562
[5-(3,4-difluorophenyl)-1,2-oxazol-3-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 91949593

Frequently Asked Questions

What is the IUPAC name of 2,7-diazaspiro[3.5]nonan-7-yl-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of 2,7-diazaspiro[3.5]nonan-7-yl-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methanone (CID 166261529) is 2,7-diazaspiro[3.5]nonan-7-yl-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for 2,7-diazaspiro[3.5]nonan-7-yl-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for 2,7-diazaspiro[3.5]nonan-7-yl-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methanone is CCc1ccc(-c2cc(C(=O)N3CCC4(CC3)CNC4)no2)cc1.
What is the InChIKey of 2,7-diazaspiro[3.5]nonan-7-yl-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is WPVWFQUOLHWAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-14-3-5-15(6-4-14)17-11-16(21-24-17)18(23)22-9-7-19(8-10-22)12-20-13-19/h3-6,11,20H,2,7-10,12-13H2,1H3.
What are the key properties of 2,7-diazaspiro[3.5]nonan-7-yl-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methanone?
2,7-diazaspiro[3.5]nonan-7-yl-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 325.41 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazaspiro[3.5]nonan-7-yl-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 166261529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).